SCHEMBL13984629

SCHEMBL13984629

C=C(C)OC(=O)N1CCC(C(C#N)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.46
FAAH O00519 1/20 0.43
ACHE P22303 3/20 0.41
MMP13 P45452 1/20 0.38
CHRM2 P08172 2/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 2/20 0.38
RORC P51449 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3637342 0.85 MMP13 (0.52) MGLLFAAHACHEMMP13NPC1
SCHEMBL3637345 0.83 MGLL (0.48) MGLLFAAHACHECHRM2HPGD
SCHEMBL2843865 0.80 ACHE (0.51) MGLLFAAHACHEHPGDLMNA
SCHEMBL11388208 0.73 SLC6A3 (0.58) ACHEHPGDNPC1RAB9AKMT2A
SCHEMBL13984721 0.71 KMT2A (0.45) MGLLHPGDNPC1LMNARAB9A
SCHEMBL13078740 0.71 ESR1 (0.39) MGLLKMT2AKDM4E
SCHEMBL3638654 0.71 ACHE (0.47) ACHECHRM2HPGDLMNAKMT2A
SCHEMBL20198176 0.70 MGLL (0.61) MGLLFAAHMMP13HPGDNPC1
SCHEMBL20408672 0.68 MGLL (0.58) MGLLFAAHMMP13CHRM2HPGD
SCHEMBL18634068 0.68 MGLL (0.55) MGLLFAAHMMP13CHRM2HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed